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35 lines
1.0 KiB
INI
35 lines
1.0 KiB
INI
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[io_mo_two_e_integrals]
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type: Disk_access
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doc: Read/Write |MO| integrals from/to disk [ Write | Read | None ]
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interface: ezfio,provider,ocaml
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default: None
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[mo_integrals_threshold]
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type: Threshold
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doc: If | <ij|kl> | < `mo_integrals_threshold` then <ij|kl> is zero
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interface: ezfio,provider,ocaml
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default: 1.e-15
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ezfio_name: threshold_mo
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[no_vvvv_integrals]
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type: logical
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doc: If `True`, computes all integrals except for the integrals having 4 virtual indices
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interface: ezfio,provider,ocaml
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default: False
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ezfio_name: no_vvvv_integrals
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[no_ivvv_integrals]
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type: logical
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doc: Can be switched on only if `no_vvvv_integrals` is `True`, then does not compute the integrals with 3 virtual indices and 1 belonging to the core inactive active orbitals
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interface: ezfio,provider,ocaml
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default: False
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ezfio_name: no_ivvv_integrals
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[no_vvv_integrals]
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type: logical
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doc: Can be switched on only if `no_vvvv_integrals` is `True`, then does not compute the integrals with 3 virtual orbitals
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interface: ezfio,provider,ocaml
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default: False
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ezfio_name: no_vvv_integrals
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